PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

carbon disulfide   2241 Carbon disulfide

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    #  Species Formula
  2231 Phosphorus monosulfidePS
  2232 Phosphorus sulfidePS
  2233 Thiophosphoryl fluoride (Geo)F3PS
  2234 Sulfur dimer (Geo)S2
  2235 Sulfur dimerS2
  2236 HS2HS2
  2237 H2S2 (Geo)H2S2
  2238 Hydrogen disulfideH2S2
  2239 BS2BS2
  2240 S-B-B-SB2S2
  2241 Carbon disulfide CS2
  2242 Carbon disulfide (Geo)CS2
  2243 CH3SSHCH4S2
  2244 (CH3)2S=SC2H6S2
  2245 1,2-EthanedithiolC2H6S2
  2246 2,3-DithiabutaneC2H6S2
  2247 CH3SCH2SHC2H6S2
  2248 2,3-Dithiabutane (Geo)C2H6S2
  2249 Ethanedithiol-1,2C2H6S2
  2250 2,3-Dithiabutane (Geo)C2H6S2
  2251 Propane-1,3-dithiolC3H8S2


ΔHf: 28.0 kcal/mol,     REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
I.P.: 10.1 eV,     REF: H. M. Rosenstock, K. Draxl, B. W. Steiner, J. T. Herron, "Energetics of Gaseous Ions," J. Phys. Ref. Data, 6 Suppl. 1 (1977).
  
 SYMMETRY PM7
Carbon disulfide
 I=10.08 H=28.0 HR=JANAF86 IR=RDSH1977
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52273363 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     1.52273363 +0  179.9992098 +1  180.0000000 +0     2     1     0